Structure of PDB 7eip Chain A Binding Site BS01

Receptor Information
>7eip Chain A (length=966) Species: 585 (Proteus vulgaris) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ATSNPAFDPKNLMQSEIYHFAQNNPLADFSSDKNSILTLSDKRSIMGNQS
LLWKWKGGSSFTLHKKLIVPTDKEASKAWGRSSTPVFSFWLYNEKPIDGY
LTIDFGEKLISTSQAGFKVKLDFTGWRAVGVSLNNDLELGAKVDSIRFKA
PSNVSQGEIYIDRIMFSVDDARYQWSDYQVKTRLSEPEIQFHNVKPQLPV
TPENLAAIDLIRQRLINEFVGKETNLALEENISKLKSDFDALNIHTLANG
GTQGRHLITDKQIIIYQPENLNSQDKQLFDNYVILGNYTTLMFNISRAYV
LEKDPTQKAQLKQMYLLMTKHLLDQGFVKGSALVTTHHWGYSSRWWYIST
LLMSDALKEANLQTQVYDSLLWYSREFKSSFDMKVSADSSDLDYFNTLSR
QHLALLLLEPDDQKRINLVNTFSHYITGALTQVPPGGKDGLRPDGTAWRH
EGNYPGYSFPAFKNASQLIYLLRDTPFSVGESGWNNLKKAMVSAWIYSNP
EVGLPLAGRHPFNSPSLKSVAQGYYWLAMSAKSSPDKTLASIYLAISDKT
QNESTAIFGETITPASLPQGFYAFNGGAFGIHRWQDKMVTLKAYNTNVWS
SEIYNKDNRYGRYQSHGVAQIVSNGSQLSQGYQQEGWDWNRMQGATTIHL
PLKDLDSPKPHTLMQRGERGFSGTSSLEGQYGMMAFDLIYPANLERFDPN
FTAKKSVLAADNHLIFIGSNINSSDKNKNVETTLFQHAITPTLNTLWING
QKIENMPYQTTLQQGDWLIDSNGNGYLITQAEKVNVSRQHQVSAENKNRQ
PTEGNFSSAWIDHSTRPKDASYEYMVFLDATPEKMGEMAQKFRENNGLYQ
VLRKDKDVHIILDKLSNVTGYAFYQPASIEDKWIKKVNKPAIVMTHRQKD
TLIVSAVTPDLNMTRQKAATPVTINVTINGKWQSSEVKYQVSGDNTELTF
TSYFGIPQEIKLSPLP
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain7eip Chain A Residue 1103 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB7eip Substrate specificity of Chondroitinase ABC I based on analyses of biochemical reactions and crystal structures in complex with disaccharides.
Resolution1.88 Å
Binding residue
(original residue number in PDB)		H43 M70 Q73 D211
Binding residue
(residue number reindexed from 1)		H19 M46 Q49 D162
Annotation score4
Enzymatic activity
Enzyme Commision number 4.2.2.20: chondroitin-sulfate-ABC endolyase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0016829 lyase activity
GO:0030246 carbohydrate binding
GO:0034000 chondroitin-sulfate-ABC endolyase activity
Biological Process
GO:0005975 carbohydrate metabolic process
GO:0006027 glycosaminoglycan catabolic process
Cellular Component
GO:0005576 extracellular region

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7eip, PDBe:7eip, PDBj:7eip
PDBsum7eip
PubMed34392362
UniProtP59807|CABC1_PROVU Chondroitin sulfate ABC endolyase

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